Found 1 result

Search term: 78441455 (Found by CSID)
ChemSpider 2D Image | (4aS)-6-Hydroxy-3,4a,5-trimethyl-4,4a-dihydro-1H-benzo[f]indole-2,7-dione | C15H15NO3

(4aS)-6-Hydroxy-3,4a,5-trimethyl-4,4a-dihydro-1H-benzo[f]indole-2,7-dione

  • Molecular FormulaC15H15NO3
  • Average mass257.284 Da
  • Monoisotopic mass257.105194 Da
  • ChemSpider ID78441455

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4aS)-6-Hydroxy-3,4a,5-trimethyl-4,4a-dihydro-1H-benzo[f]indol-2,7-dion [German] [ACD/IUPAC Name]
(4aS)-6-Hydroxy-3,4a,5-trimethyl-4,4a-dihydro-1H-benzo[f]indole-2,7-dione [ACD/IUPAC Name]
(4aS)-6-Hydroxy-3,4a,5-triméthyl-4,4a-dihydro-1H-benzo[f]indole-2,7-dione [French] [ACD/IUPAC Name]
1H-Benz[f]indole-2,7-dione, 4,4a-dihydro-6-hydroxy-3,4a,5-trimethyl-, (4aS)- [ACD/Index Name]
Citreopenin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 617.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.1±6.0 kJ/mol
Flash Point: 327.5±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 69.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.91
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 6.52
ACD/KOC (pH 5.5): 133.06
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 5.57
ACD/KOC (pH 7.4): 113.66
Polar Surface Area: 66 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 191.7±5.0 cm3

Click to predict properties on the Chemicalize site


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